4-[[7-(4-cyano-N-dibenzofuran-4-ylanilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]-dibenzofuran-4-ylamino]benzonitrile

C73H40N4O2 — CID 126712541

About 4-[[7-(4-cyano-N-dibenzofuran-4-ylanilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]-dibenzofuran-4-ylamino]benzonitrile

4-[[7-(4-cyano-N-dibenzofuran-4-ylanilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]-dibenzofuran-4-ylamino]benzonitrile (PubChem CID 126712541) has the molecular formula C73H40N4O2 and a molecular weight of 1005.15 g/mol. Its IUPAC name is 4-[[7-(4-cyano-N-dibenzofuran-4-ylanilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]-dibenzofuran-4-ylamino]benzonitrile.

Molecular Properties

• Compound Name: 4-[[7-(4-cyano-N-dibenzofuran-4-ylanilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]-dibenzofuran-4-ylamino]benzonitrile
• PubChem CID: 126712541
• Molecular Formula: C73H40N4O2
• Molecular Weight: 1005.15 g/mol
• Exact Mass: 1004.32
• IUPAC Name: 4-[[7-(4-cyano-N-dibenzofuran-4-ylanilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]-dibenzofuran-4-ylamino]benzonitrile
• SMILES: N#Cc1ccc(N(c2ccc3c(c2)C2(c4cc(N(c5ccc(C#N)cc5)c5cccc6c5oc5ccccc56)ccc4-3)c3ccccc3-c3c2cc2c4c(cccc34)-c3ccccc3-2)c2cccc3c2oc2ccccc23)cc1
• InChI: InChI=1S/C73H40N4O2/c74-41-43-26-30-45(31-27-43)76(65-22-10-18-56-53-14-4-7-24-67(53)78-71(56)65)47-34-36-51-52-37-35-48(77(46-32-28-44(42-75)29-33-46)66-23-11-19-57-54-15-5-8-25-68(54)79-72(57)66)39-63(52)73(62(51)38-47)61-21-6-3-16-58(61)70-59-20-9-17-55-49-12-1-2-13-50(49)60(69(55)59)40-64(70)73/h1-40H
• InChIKey: CTHVZWJVBLYSQR-UHFFFAOYSA-N
• XLogP: 19.31
• TPSA: 80.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1005.15
LogP ≤ 5	19.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[[7-(4-cyano-N-dibenzofuran-4-ylanilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]-dibenzofuran-4-ylamino]benzonitrile?

The IUPAC name of 4-[[7-(4-cyano-N-dibenzofuran-4-ylanilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]-dibenzofuran-4-ylamino]benzonitrile (CID 126712541) is 4-[[7-(4-cyano-N-dibenzofuran-4-ylanilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]-dibenzofuran-4-ylamino]benzonitrile.

What is the SMILES notation for 4-[[7-(4-cyano-N-dibenzofuran-4-ylanilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]-dibenzofuran-4-ylamino]benzonitrile?

The canonical SMILES for 4-[[7-(4-cyano-N-dibenzofuran-4-ylanilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]-dibenzofuran-4-ylamino]benzonitrile is N#Cc1ccc(N(c2ccc3c(c2)C2(c4cc(N(c5ccc(C#N)cc5)c5cccc6c5oc5ccccc56)ccc4-3)c3ccccc3-c3c2cc2c4c(cccc34)-c3ccccc3-2)c2cccc3c2oc2ccccc23)cc1.

What is the InChIKey of 4-[[7-(4-cyano-N-dibenzofuran-4-ylanilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]-dibenzofuran-4-ylamino]benzonitrile?

The InChIKey is CTHVZWJVBLYSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H40N4O2/c74-41-43-26-30-45(31-27-43)76(65-22-10-18-56-53-14-4-7-24-67(53)78-71(56)65)47-34-36-51-52-37-35-48(77(46-32-28-44(42-75)29-33-46)66-23-11-19-57-54-15-5-8-25-68(54)79-72(57)66)39-63(52)73(62(51)38-47)61-21-6-3-16-58(61)70-59-20-9-17-55-49-12-1-2-13-50(49)60(69(55)59)40-64(70)73/h1-40H.

What are the key properties of 4-[[7-(4-cyano-N-dibenzofuran-4-ylanilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]-dibenzofuran-4-ylamino]benzonitrile?

4-[[7-(4-cyano-N-dibenzofuran-4-ylanilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]-dibenzofuran-4-ylamino]benzonitrile has a molecular weight of 1005.15 g/mol, XLogP of 19.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[7-(4-cyano-N-dibenzofuran-4-ylanilino)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl]-dibenzofuran-4-ylamino]benzonitrile is sourced from PubChem (CID 126712541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).